Home Other Building Blocks 2-{[4-fluoro-3-(trifluoromethyl)phenyl]methyl}-2-methylpyrrolidine hydrochloride

2-{[4-fluoro-3-(trifluoromethyl)phenyl]methyl}-2-methylpyrrolidine hydrochloride

CAS No.:
2060008-14-0
Catalog Number:
AG01BRXU
Molecular Formula:
C13H16ClF4N
Molecular Weight:
297.7195
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Product Description
Catalog Number:
AG01BRXU
Chemical Name:
2-{[4-fluoro-3-(trifluoromethyl)phenyl]methyl}-2-methylpyrrolidine hydrochloride
CAS Number:
2060008-14-0
Molecular Formula:
C13H16ClF4N
Molecular Weight:
297.7195
MDL Number:
MFCD30535945
IUPAC Name:
2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-methylpyrrolidine;hydrochloride
InChI:
InChI=1S/C13H15F4N.ClH/c1-12(5-2-6-18-12)8-9-3-4-11(14)10(7-9)13(15,16)17;/h3-4,7,18H,2,5-6,8H2,1H3;1H
InChI Key:
ACZVWLBRPGDCAQ-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1C(F)(F)F)CC1(C)CCCN1.Cl
Properties
Complexity:
291  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.091g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
297.722g/mol
Monoisotopic Mass:
297.091g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties